N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 4-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 4-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC

InChI

InChI=1S/C26H35N3O4S/c1-4-6-7-10-17-32-21-15-13-20(14-16-21)25(31)27-26(34)29-28-24(30)18-33-23-12-9-8-11-22(23)19(3)5-2/h8-9,11-16,19H,4-7,10,17-18H2,1-3H3,(H,28,30)(H2,27,29,31,34)